| SpectraBase Spectrum ID |
GRO02n6MlEx |
| Name |
Iron, tricarbonyl[(1,4,5,6-.eta.)-2,2-dimethyl-7-oxo-5-cycloheptene-1,4-diyl]- |
| CAS Registry Number |
94889-37-9 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12FeO4 |
| InChI |
InChI=1S/C9H12O.3CO.Fe/c1-9(2)6-4-3-5-8(10)7-9;3*1-2;/h3-5,7H,6H2,1-2H3;;;; |
| InChIKey |
QWODROBQLTYWAG-UHFFFAOYSA-N |
| Molecular Weight |
276.069 g/mol |
| SMILES |
[C@@]12([Fe]34([C@@]2([C@]4(CC([C@]3(C1=O)[H])(C)C)[H])[H])(C#[O])(C#[O])C#[O])[H] |
| SPLASH |
splash10-0002-0950000000-6d6331b95fe392e1fd8b |
| Source of Spectrum |
K-117-3484-6 |
| Synonyms |
1,1,1-tris(hydroxymethyl)-6,6-dimethyl-1-ferratetracyclo[3.3.0.0(1,3).0(2,8)]octan-4-one
2-Cyclohepten-1-one, 6,6-dimethyl-, iron complex
Tricarbonyl[(1,3,4,5-.eta.)-7,7-dimethyl-2-oxo-4-cyclohepten-1,3-diyl]iron |
| Wiley ID |
1279615 |
![Iron, tricarbonyl[(1,4,5,6-.eta.)-2,2-dimethyl-7-oxo-5-cycloheptene-1,4-diyl]-](/api/spectrum/GRO02n6MlEx/structure.png?h=300&w=458 "Iron, tricarbonyl[(1,4,5,6-.eta.)-2,2-dimethyl-7-oxo-5-cycloheptene-1,4-diyl]-")
